N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H20N4O4S2 — CID 132669499

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H20N4O4S2/c24-19(20-12-16-21-18(22-27-16)14-6-2-1-3-7-14)15-8-4-10-23(13-15)29(25,26)17-9-5-11-28-17/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,20,24)
InChIKeyCUUPKXXAMKDKSE-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.52
Rot. Bonds6

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 132669499) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID132669499
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H20N4O4S2/c24-19(20-12-16-21-18(22-27-16)14-6-2-1-3-7-14)15-8-4-10-23(13-15)29(25,26)17-9-5-11-28-17/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,20,24)
InChIKeyCUUPKXXAMKDKSE-UHFFFAOYSA-N
XLogP2.52
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 133167913
3-phenyl-5-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92875105
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 132664328
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119180
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30153369
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18102027
(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 92882338
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896176
1-(dimethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 132667271
(3R)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 34583956

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 132669499) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CUUPKXXAMKDKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c24-19(20-12-16-21-18(22-27-16)14-6-2-1-3-7-14)15-8-4-10-23(13-15)29(25,26)17-9-5-11-28-17/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,20,24).
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 132669499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).